Authors:

P.M. Grant(W2AGZ Technologies)

R.H. Hammond(Stanford University)

Collaboration:

W2AGZ Technologies/GLAM, Stanford University

We report findings derived from a series of DFT calculations on the
structural stability and paramagnetic ground states of four idealized copper
monochalcogenide (CuO, CuS, CuSe, CuTe) rocksalt structures. Note that none
of these target compounds occur naturally, but can possibly be fabricated
using ``forced epitaxy'' MBE methods, as has been done to grow CuO
tetragonal rocksalt films 5-6 monolayers thick.\footnote{W. Siemons, et al., PRB 79, 195122 (2009), DOI: 10.1103/PhysRevB.79.195122.}$^,$\footnote{P. M. Grant, J. of Physics: CS 129, 012042 (2008), DOI: 10.1088/1742-6596/129/1/012042} Therefore,
we treat all examples we report herein as proxies intended to explore
candidate implications for possible future high-T$_{\mathrm{C}}$ materials.
In particular, we find, as might be expected from the long accepted Van
Vleck-Anderson-Hubbard formalism describing antiferromagnetic insulators,
the Neel temperature scales upward roughly as the width of the spin-carrying
bands near or adjacent to the Fermi level or energy gap. We conclude such
trend might result in higher superconducting transition temperatures should
this be mediated by carrier-spin excitation/fluctuation driven pairing
scaled by T$_{\mathrm{N}}$. Finally, we briefly discuss synthetic paths to
realizing actual embodiments of our proxy exercises.

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2014.MAR.Y47.8